CHEMBL4845838
SMILES | O=C(NCCCCN1CCO[C@@H]2c3ccccc3OC[C@H]21)c1ccc(Br)cc1 |
InChIKey | OHJSWFDQAUGCDZ-TZIWHRDSSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 444.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.05 | 6.05 | 6.05 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.87 | 7.87 | 7.87 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |